1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea

C19H26N4O5 — CID 3578583

IUPAC1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea
SMILESCOc1cc(OC)cc(N2C(=O)C3CC(NC(=O)NC(C)C)CCN3C2=O)c1
InChIInChI=1S/C19H26N4O5/c1-11(2)20-18(25)21-12-5-6-22-16(7-12)17(24)23(19(22)26)13-8-14(27-3)10-15(9-13)28-4/h8-12,16H,5-7H2,1-4H3,(H2,20,21,25)
InChIKeyZTVXPLGFKQFWMW-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.71
Rot. Bonds5

About 1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea

1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea (PubChem CID 3578583) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea
PubChem CID3578583
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea
SMILESCOc1cc(OC)cc(N2C(=O)C3CC(NC(=O)NC(C)C)CCN3C2=O)c1
InChIInChI=1S/C19H26N4O5/c1-11(2)20-18(25)21-12-5-6-22-16(7-12)17(24)23(19(22)26)13-8-14(27-3)10-15(9-13)28-4/h8-12,16H,5-7H2,1-4H3,(H2,20,21,25)
InChIKeyZTVXPLGFKQFWMW-UHFFFAOYSA-N
XLogP1.71
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[(7R,8aS)-2-(3-fluorophenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea
CID 162813528
1-[1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea
CID 3864696
1-[(7S,8aS)-1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea
CID 7050245
N-[(7S,8aS)-2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-chloropyridine-4-carboxamide
CID 7050279
N-[(7S,8aR)-2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-chloropyridine-4-carboxamide
CID 162807827
1-[2-(2-chloroethyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea
CID 3785445
1-(4-methylphenyl)-3-[2-(4-methylphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]urea
CID 3759076
2-chloro-N-[2-(3-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
CID 3782760
N-[(7S,8aR)-1,3-dioxo-2-(4-propan-2-ylphenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
CID 163072708
N-[2-(3,4-dichlorophenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]cyclopentanecarboxamide
CID 74509211
N-[(7S,8aS)-1,3-dioxo-2-(4-propan-2-ylphenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-chloropyridine-4-carboxamide
CID 7050275
N-[(7S,8aR)-1,3-dioxo-2-(4-propan-2-ylphenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-1-methylpyrrole-2-carboxamide
CID 162812379

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea (CID 3578583) is 1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea is COc1cc(OC)cc(N2C(=O)C3CC(NC(=O)NC(C)C)CCN3C2=O)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea?
The InChIKey is ZTVXPLGFKQFWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-11(2)20-18(25)21-12-5-6-22-16(7-12)17(24)23(19(22)26)13-8-14(27-3)10-15(9-13)28-4/h8-12,16H,5-7H2,1-4H3,(H2,20,21,25).
What are the key properties of 1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea?
1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea has a molecular weight of 390.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea is sourced from PubChem (CID 3578583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).